Information card for entry 2016577

Structure parameters

• Chemical name: N,N'-bis[2-(hydroxymethyl)benzyl]ethylenediamine
• Formula: C18 H24 N2 O2
• Calculated formula: C18 H24 N2 O2
• SMILES: OCc1ccccc1CNCCNCc1ccccc1CO
• Title of publication: A two-dimensional layer in <i>N</i>,<i>N</i>'-bis[2-(hydroxymethyl)benzyl]ethylenediamine and a three-dimensional network in <i>N</i>,<i>N</i>'-bis[2-(hydroxymethyl)benzyl]ethylenediammonium bis(perchlorate)
• Authors of publication: Zhang, Min; Meng, Xiang-Gao; Hu, Zong-Qiu; Xu, Xing-Man
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o272 - o275
• a: 14.0939 ± 0.0002 Å
• b: 6.952 ± 0.0006 Å
• c: 8.6661 ± 0.0007 Å
• α: 90°
• β: 99.226 ± 0.003°
• γ: 90°
• Cell volume: 838.13 ± 0.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes